Chemical Properties of n-Octyl phenyl ketone (CAS 6008-36-2)

InChI

InChI=1S/C15H22O/c1-2-3-4-5-6-10-13-15(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3

InChI Key

PFUPABFCHVRLLY-UHFFFAOYSA-N

Formula

C15H22O

SMILES

CCCCCCCCC(=O)c1ccccc1

Molecular Weight¹

218.33

CAS

6008-36-2

Other Names

• n-Nonanophenone
• 1-Nonanone, 1-phenyl-
• 1-Phenyl-1-nonanone
• 1-Phenylnonan-1-one

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6810		Relay (1.0) Calculated Property
ΔfG°	58.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-237.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.25	kJ/mol	Joback Calculated Property
ΔvapH°	81.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-5.27		Relay (1.0) Calculated Property
logPoct/wat	4.620		Crippen Calculated Property
McVol	200.020	ml/mol	McGowan Calculated Property
Pc	1950.95	kPa	Joback Calculated Property
Inp	[1794.00; 1794.00]
Inp	1794.00		NIST
Inp	1794.00		NIST
Tboil	574.45	K	Relay (1.0) Calculated Property
Tc	779.95	K	Relay (1.0) Calculated Property
Tfus	292.95	K	Relay (1.0) Calculated Property
Vc	0.758	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[267.36; 663.69]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.72930e+01
Coefficient B			1.32192e+00
Coefficient C			-8.04700e-04
Coefficient D			1.83760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.36	J/mol×K	273.00	Calculated Property
Cp,gas	337.79	J/mol×K	353.78	Calculated Property
Cp,gas	400.28	J/mol×K	434.56	Calculated Property
Cp,gas	455.38	J/mol×K	515.33	Calculated Property
Cp,gas	503.69	J/mol×K	596.11	Calculated Property
Cp,gas	545.79	J/mol×K	676.89	Calculated Property
Cp,gas	582.26	J/mol×K	757.67	Calculated Property
Cp,gas	613.68	J/mol×K	838.44	Calculated Property
Cp,gas	640.63	J/mol×K	919.22	Calculated Property
Cp,gas	663.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027358; 0.0002253]	Pa×s	[335.16; 575.76]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18759e+01
Coefficient B			2.00245e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			335.16
Temperature range, max.			575.76
η	0.0027358	Pa×s	335.16	Calculated Property
η	0.0017596	Pa×s	361.89	Calculated Property
η	0.0012025	Pa×s	388.63	Calculated Property
η	0.0008631	Pa×s	415.36	Calculated Property
η	0.0006449	Pa×s	442.09	Calculated Property
η	0.0004981	Pa×s	468.83	Calculated Property
η	0.0003956	Pa×s	495.56	Calculated Property
η	0.0003217	Pa×s	522.30	Calculated Property
η	0.0002669	Pa×s	549.03	Calculated Property
η	0.0002253	Pa×s	575.76	Calculated Property

Similar Compounds

Find more compounds similar to n-Octyl phenyl ketone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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